Molecule

ID:92045

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₄
Molecular Mass
323.34258
Exact Mass
323.11575803
Charge
0
InChI
InChI=1S/C19H17NO4/c1-2-23-19(22)16-11-20-17-10-14(8-9-15(17)18(16)21)24-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,20,21)
InChIKey
AJFAAXMCFXOPOM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc2c(c1O)ccc(c2)OCc1ccccc1
Isomeric Smiles
n1cc(c(c2ccc(cc12)OCc1ccccc1)O)C(=O)OCC
Calculated Properties
JChem
Acid pKa
11.226964
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.4043355
LogD (pH = 7.4)
4.4043555
Log P
4.404422
Molar Refractivity
89.8099
Polarizability
35.92071
Polar Surface Area
68.65
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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